2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C19H19ClN4O2 — CID 134789363

About 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134789363) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
• PubChem CID: 134789363
• Molecular Formula: C19H19ClN4O2
• Molecular Weight: 370.84 g/mol
• Exact Mass: 370.12
• IUPAC Name: 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
• SMILES: COc1ccc(CN2CCn3c(nn(-c4cccc(Cl)c4)c3=O)C2)cc1
• InChI: InChI=1S/C19H19ClN4O2/c1-26-17-7-5-14(6-8-17)12-22-9-10-23-18(13-22)21-24(19(23)25)16-4-2-3-15(20)11-16/h2-8,11H,9-10,12-13H2,1H3
• InChIKey: KWSPKCLUASMYEZ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 52.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.84
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?

The IUPAC name of 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134789363) is 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

What is the SMILES notation for 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?

The canonical SMILES for 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(CN2CCn3c(nn(-c4cccc(Cl)c4)c3=O)C2)cc1.

What is the InChIKey of 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?

The InChIKey is KWSPKCLUASMYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-26-17-7-5-14(6-8-17)12-22-9-10-23-18(13-22)21-24(19(23)25)16-4-2-3-15(20)11-16/h2-8,11H,9-10,12-13H2,1H3.

What are the key properties of 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?

2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 370.84 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134789363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).